N-{1-(m-Chlorophenyl)-4-{[p-(diethylamino)phenyl]imino}-5-oxo-2-pyrazolin-3-yl}hexadecanamide

SpectraBase Compound ID	H6MsOU0mbzW
InChI	InChI=1S/C35H50ClN5O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-32(42)38-34-33(35(43)41(39-34)31-21-19-20-28(36)27-31)37-29-23-25-30(26-24-29)40(5-2)6-3/h19-21,23-27H,4-18,22H2,1-3H3,(H,38,39,42)/b37-33+
InChIKey	CEHNTFDBACVUOJ-LAWMERGMSA-N Google Search
Mol Weight	608.3 g/mol
Molecular Formula	C35H50ClN5O2
Exact Mass	607.365304 g/mol

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SpectraBase Spectrum ID	26XSVpsPNLZ
Name	N-{1-(m-Chlorophenyl)-4-{[p-(diethylamino)phenyl]imino}-5-oxo-2-pyrazolin-3-yl}hexadecanamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	607.365303568 u
Formula	C35H50ClN5O2
InChI	InChI=1S/C35H50ClN5O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-32(42)38-34-33(35(43)41(39-34)31-21-19-20-28(36)27-31)37-29-23-25-30(26-24-29)40(5-2)6-3/h19-21,23-27H,4-18,22H2,1-3H3,(H,38,39,42)/b37-33+
InChIKey	CEHNTFDBACVUOJ-LAWMERGMSA-N
Molecular Weight	608.271 g/mol
SMILES	N(C=1\C(=N/C2=CC=C(C=C2)N(CC)CC)C(N(N1)C1=CC(Cl)=CC=C1)=O)C(=O)CCCCCCCCCCCCCCC